2-N',2-N',2-N,2-N-tetramethyl-4,6-bis(trifluoromethyl)-1,3,5,2$l^{5}-triazaphosphinine-2,2-diamine

• ChemBase编号: 95829
• 分子式: C8H12F6N5P
• 平均质量: 323.1785602
• 单一同位素质量: 323.07345136
• SMILES: P1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)(N(C)C)N(C)C
• Canonical SMILES: CN(P1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)N(C)C)C
• InChI: InChI=1S/C8H12F6N5P/c1-18(2)20(19(3)4)16-5(7(9,10)11)15-6(17-20)8(12,13)14/h1-4H3
• InChIKey: OFMKKSBAKSDTKO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-N',2-N',2-N,2-N-tetramethyl-4,6-bis(trifluoromethyl)-1,3,5,2$l^{5}-triazaphosphinine-2,2-diamine
• IUPAC传统名: 2-N',2-N',2-N,2-N-tetramethyl-4,6-bis(trifluoromethyl)-1,3,5,2$l^{5}-triazaphosphinine-2,2-diamine
• 别名: N2,N2,N2,N2-tetramethyl-4,6-di(trifluoromethyl)-1,3,5,2lambda~5~-triazaphosphinine-2,2-diamine

登记号

• MDL号: MFCD00548524
• PubChem SID: 162082478
• PubChem CID: 541603

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.2912915
• LogD (pH = 7.4): 0.29131737
• Log P: 0.2913177
• 摩尔折射率: 61.2684 cm^3
• 极化性: 22.46444 Å^3
• 极化表面积: 43.56 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true